SCHEMBL5516614

SCHEMBL5516614

O=C(O)C1CC(CCCc2ccc(Cl)cc2)CN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.48
ALDH1A1 P00352 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIK1 P39086 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11239409 0.87 ARG1 (0.51) ARG1GRIK1HDAC3HDAC4HDAC1
SCHEMBL19432303 0.87 ARG1 (0.51) ARG1GRIK1HDAC3HDAC4HDAC1
SCHEMBL11239411 0.87 ARG1 (0.51) ARG1GRIK1HDAC3HDAC4HDAC1
SCHEMBL5510068 0.86 ARG1 (0.48) ARG1GRIK1
SCHEMBL4862877 0.84 ARG1 (0.48) ARG1ALDH1A1HSD17B10GRIK1CYP1A2
SCHEMBL11248416 0.83 ARG1 (0.45) ARG1ALDH1A1GRIK1
SCHEMBL11235178 0.83 GRIK1 (0.52) ARG1ALDH1A1GRIK1CYP1A2CYP2D6
SCHEMBL3183754 0.83 GRIK1 (0.52) ARG1ALDH1A1GRIK1CYP1A2CYP2D6
Bromide SCHEMBL11268246 0.82 GRIK1 (0.51) ARG1ALDH1A1GRIK1CYP1A2CYP2D6
Bromide SCHEMBL11268259 0.82 GRIK1 (0.51) ARG1ALDH1A1GRIK1CYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US claimed
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US disclosed
US-7164011-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-01-16 US disclosed
EP-1654268-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-05-10 EP disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 WO disclosed